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264187-78-2

264187-78-2 structural image
Product Name: N1-(3,5-dichlorophenyl)-2-{[4-(3-phenylisoxazol-5-yl)pyrimidin-2-yl]thio}acetamide
Formula: C21H14Cl2N4O2S
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COMPUTED DESCRIPTORS

Molecular Weight 457.3 g/mol
XLogP3 5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 6
Exact Mass 456.0214523 g/mol
Monoisotopic Mass 456.0214523 g/mol
Topological Polar Surface Area 106 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 559
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes